ASE database

Displaying rows 551-575 out of 594
↓ ID ✕ plane_index ✕ Dipole_val ✕ atom_E ✕ str_E ✕ distance ✕ Mass ✕ Energy ✕ PBC ✕ Age ✕ Charge ✕ ads_E ✕ slab_E ✕ Maximum force ✕ Volume ✕ Maximum stress ✕ Username ✕ ads_site ✕ Magnetic moment ✕ Calculator ✕
551 111 -4.502 -0.225 -195.024 2.376 17285.869 -195.024 TTT 13M 0.000 -1.954 -192.845 0.009 1730.483 0.008 hecc 3h -0.000 vasp
552 111 -2.595 -0.004 -194.556 2.025 17285.869 -194.556 TTT 13M 0.000 -1.707 -192.845 0.005 1730.483 0.007 hecc 3h -0.000 vasp
553 111 -1.006 -0.295 -196.324 1.820 17285.869 -196.324 TTT 13M 0.000 -3.184 -192.845 0.008 1730.483 0.007 hecc 3h 0.000 vasp
554 111 0.043 -0.830 -197.777 1.670 17285.869 -197.777 TTT 13M 0.000 -4.102 -192.845 0.009 1730.483 0.006 hecc 3h 0.000 vasp
555 111 0.624 -1.888 -198.547 1.593 17285.869 -198.547 TTT 13M 0.000 -3.815 -192.845 0.004 1730.483 0.006 hecc 3h 0.000 vasp
556 111 0.764 -0.945 -198.308 1.602 17285.869 -198.308 TTT 13M 0.000 -4.518 -192.845 0.009 1730.483 0.006 hecc 3h 0.000 vasp
557 111 0.388 -0.243 -196.481 1.841 17285.869 -196.481 TTT 13M 0.000 -3.393 -192.845 0.009 1730.483 0.006 hecc 3h -0.000 vasp
558 111 -0.053 -0.025 -192.878 3.920 17285.869 -192.878 TTT 13M 0.000 -0.008 -192.845 0.009 1730.483 0.007 hecc 3h 0.000 vasp
559 111 0.014 -1.120 -196.523 0.916 17285.869 -196.523 TTT 13M 0.000 -2.559 -192.845 0.006 1730.483 0.007 hecc 1b -0.000 vasp
560 111 -0.017 0.002 -192.846 3.776 17285.869 -192.846 TTT 13M 0.000 -0.003 -192.845 0.006 1730.483 0.007 hecc 1b 0.000 vasp
561 111 -3.370 -0.299 -195.466 2.025 17285.869 -195.466 TTT 13M 0.000 -2.322 -192.845 0.007 1730.483 0.008 hecc 1b 0.000 vasp
562 111 -0.736 -0.039 -195.474 1.308 17285.869 -195.474 TTT 13M 0.000 -2.589 -192.845 0.009 1730.483 0.008 hecc 1b -0.000 vasp
563 111 0.322 -0.349 -197.691 0.834 17285.869 -197.691 TTT 13M 0.000 -4.498 -192.845 0.008 1730.483 0.008 hecc 1b 0.000 vasp
564 111 0.460 -1.250 -199.256 0.665 17285.869 -199.256 TTT 13M 0.000 -5.161 -192.845 0.010 1730.483 0.008 hecc 1b 0.000 vasp
565 111 0.716 -3.120 -199.896 0.958 17285.869 -199.896 TTT 13M 0.000 -3.931 -192.845 0.008 1730.483 0.005 hecc 1b -0.000 vasp
566 111 0.781 -1.530 -199.469 1.073 17285.869 -199.469 TTT 13M 0.000 -5.094 -192.845 0.007 1730.483 0.005 hecc 1b -0.000 vasp
567 111 0.687 -0.424 -197.505 1.409 17285.869 -197.505 TTT 13M 0.000 -4.236 -192.845 0.009 1730.483 0.006 hecc 1b 0.000 vasp
568 111 -0.008 -0.013 -192.866 3.657 17285.869 -192.866 TTT 13M 0.000 -0.008 -192.845 0.007 1730.483 0.007 hecc 1b 0.000 vasp
569 111 -4.513 -0.225 -195.018 2.384 17285.869 -195.018 TTT 13M 0.000 -1.948 -192.845 0.006 1730.483 0.008 hecc 1b -0.000 vasp
570 111 -2.577 -0.004 -194.540 1.991 17285.869 -194.540 TTT 13M 0.000 -1.691 -192.845 0.010 1730.483 0.008 hecc 1b 0.000 vasp
571 111 -0.999 -0.295 -196.341 1.820 17285.869 -196.341 TTT 13M 0.000 -3.201 -192.845 0.010 1730.483 0.007 hecc 1b 0.000 vasp
572 111 0.034 -0.830 -197.812 1.654 17285.869 -197.812 TTT 13M 0.000 -4.137 -192.845 0.010 1730.483 0.006 hecc 1b -0.000 vasp
573 111 0.602 -1.890 -198.588 1.585 17285.869 -198.588 TTT 13M 0.000 -3.853 -192.845 0.006 1730.483 0.006 hecc 1b -0.000 vasp
574 111 0.738 -0.945 -198.347 1.587 17285.869 -198.347 TTT 13M 0.000 -4.557 -192.845 0.008 1730.483 0.005 hecc 1b -0.000 vasp
575 111 0.581 -0.243 -196.406 1.895 17285.869 -196.406 TTT 13M 0.000 -3.318 -192.845 0.011 1730.483 0.006 hecc 1b 0.000 vasp